Geometry & MOs

Info

ID:	183596
PubChem CID:	77044350
Reduced:	ClFON4H12C13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-16.52
Dipole, Da:	0.61
IP(EA), eV:	-9.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC(=O)NCCC2=NC=NN2)Cl)F

DOS

IR

Vibrations